CAS RN: 13816-02-9
2-vinylthiazole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251125 | 50mg / 200mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS13816-02-9
- Purity/Analytical Methods: >99.0%
13816-02-9 / 2-ethenyl-1,3-thiazole
Basic Information
CAS
13816-02-9
Multi CAS
No
Molecular Formula
C5H5NS
Molecular Weight
111.170000
Exact Mass
111.014270
SMILES
C=CC1=NC=CS1
InChI
InChI=1S/C5H5NS/c1-2-5-6-3-4-7-5/h2-4H,1H2
InChIKey
JDCUKFVNOWJNBU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
32.2
TPSA
12.89
LogP / Solubility
WLOGP
1.79
MLOGP
1.56
XLogP3
1.8
Consensus LogP
1.72
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H227 (100%): Combustible liquid [Warning Flammable liquids]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501
Customers Also Viewed
-
2-ISOPROPENYLTHIAZOLE
- CAS RN: 13816-04-1
- Product Code: starshine_CAS13816-04-1
- Purity/Analytical method: >99.0%
-
2-(thiazol-2-yl)thiazole
- CAS RN: 13816-21-2
- Product Code: starshine_CAS13816-21-2
- Purity/Analytical method: >99.0%
-
-
[4-(4-phosphonophenyl)phenyl]phosphonic acid
- CAS RN: 13817-79-3
- Product Code: starshine_CAS13817-79-3
- Purity/Analytical method: >99.0%
-
GADOLINIUM BROMIDE
- CAS RN: 13818-75-2
- Product Code: starshine_CAS13818-75-2
- Purity/Analytical method: >99.0%
-
![CAS 13817-79-3 [4-(4-phosphonophenyl)phenyl]phosphonic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/13817-79-3.gif)
